3TPR
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![BU of 3tpr by Molmil](/molmil-images/mine/3tpr) | Crystal structure of BACE1 complexed with an inhibitor | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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6IGB
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![BU of 6igb by Molmil](/molmil-images/mine/6igb) | the structure of Pseudomonas aeruginosa Periplasmic gluconolactonase, PpgL | Descriptor: | ACETATE ION, Periplasmic gluconolactonase, PpgL, ... | Authors: | Song, Y.J, Shen, Y.L, Wang, K.L, Li, T, Zhu, Y.B, Li, C.C, He, L.H, Zhao, N.L, Zhao, C, Yang, J, Huang, Q, Mu, X.Y. | Deposit date: | 2018-09-25 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Structural and Functional Insights into PpgL, a Metal-Independent beta-Propeller Gluconolactonase That Contributes toPseudomonas aeruginosaVirulence. Infect.Immun., 87, 2019
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3TPJ
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![BU of 3tpj by Molmil](/molmil-images/mine/3tpj) | APO structure of BACE1 | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION, ... | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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3TPP
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![BU of 3tpp by Molmil](/molmil-images/mine/3tpp) | Crystal structure of BACE1 complexed with an inhibitor | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ... | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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7C09
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![BU of 7c09 by Molmil](/molmil-images/mine/7c09) | |
7C0P
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![BU of 7c0p by Molmil](/molmil-images/mine/7c0p) | |
6JOQ
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![BU of 6joq by Molmil](/molmil-images/mine/6joq) | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primase | Authors: | Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. | Deposit date: | 2019-03-22 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
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7WA3
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![BU of 7wa3 by Molmil](/molmil-images/mine/7wa3) | Structure of American mink ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Su, C, Qi, J.X, Gao, G.F. | Deposit date: | 2021-12-11 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The molecular basis of SARS-CoV-2 variants binding to mink ACE2 To Be Published
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6IDE
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![BU of 6ide by Molmil](/molmil-images/mine/6ide) | Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design | Descriptor: | 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ... | Authors: | Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H. | Deposit date: | 2018-09-09 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design. J. Biol. Chem., 294, 2019
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6KKL
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![BU of 6kkl by Molmil](/molmil-images/mine/6kkl) | Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward conformation (H115N mutant) | Descriptor: | Sugar efflux transporter, nonyl beta-D-glucopyranoside | Authors: | Xiao, Q.J, Sun, B, Zuo, Y.X, Guo, L, He, J.H, Deng, D. | Deposit date: | 2019-07-26 | Release date: | 2020-07-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.654 Å) | Cite: | Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state. Biochem.Biophys.Res.Commun., 534, 2021
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6KJU
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![BU of 6kju by Molmil](/molmil-images/mine/6kju) | Huge conformation shift of Vibrio cholerae VqmA dimer in the absence of target DNA provides insight into DNA-binding mechanisms of LuxR-type receptors | Descriptor: | 3,5-dimethylpyrazin-2-ol, Helix-turn-helix transcriptional regulator | Authors: | Wu, H, Li, M.J, Guo, H.J, Zhou, H, Wang, W.W, Xu, Q, Xu, C.Y, Yu, F, He, J.H. | Deposit date: | 2019-07-23 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Large conformation shifts of Vibrio cholerae VqmA dimer in the absence of target DNA provide insight into DNA-binding mechanisms of LuxR-type receptors. Biochem.Biophys.Res.Commun., 520, 2019
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7YIK
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![BU of 7yik by Molmil](/molmil-images/mine/7yik) | |
7YIL
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![BU of 7yil by Molmil](/molmil-images/mine/7yil) | |
6JON
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![BU of 6jon by Molmil](/molmil-images/mine/6jon) | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Primase | Authors: | Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. | Deposit date: | 2019-03-22 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
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7YKV
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![BU of 7ykv by Molmil](/molmil-images/mine/7ykv) | The structure of archaeal nuclease RecJ2 from Methanocaldococcus jannaschii | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)furan-3-yl] [5-(6-aminopurin-9-yl)-3-oxidanyl-furan-2-yl]methyl hydrogen phosphate, ... | Authors: | Wang, W.W, Liu, X.P. | Deposit date: | 2022-07-24 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The structure of archaeal nuclease RecJ2 from Methanocaldococcus jannaschii To Be Published
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6JOP
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![BU of 6jop by Molmil](/molmil-images/mine/6jop) | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity | Descriptor: | MAGNESIUM ION, Primase, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. | Deposit date: | 2019-03-22 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.353 Å) | Cite: | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
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